==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA INTEGRATION 25-AUG-95 1ASW . COMPND 2 MOLECULE: AVIAN SARCOMA VIRUS INTEGRASE; . SOURCE 2 ORGANISM_SCIENTIFIC: AVIAN SARCOMA VIRUS; . AUTHOR G.BUJACZ,M.JASKOLSKI,J.ALEXANDRATOS,A.WLODAWER . 152 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8710.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 107 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 5.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 15 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 15 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 55 36.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 1 0 0 0 0 0 1 0 0 0 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 50 A R 0 0 251 0, 0.0 66,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -92.1 24.1 36.0 57.2 2 51 A E - 0 0 100 1,-0.2 4,-0.1 7,-0.1 3,-0.0 0.051 360.0-123.7 -41.2 149.1 23.6 32.7 55.5 3 52 A P - 0 0 25 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.013 68.8 -73.5 -88.1 28.4 26.6 31.4 53.5 4 53 A R S > S- 0 0 210 2,-0.1 3,-2.1 1,-0.1 0, 0.0 0.902 100.3 -32.9 77.6 91.5 24.5 31.1 50.4 5 54 A G T 3 S- 0 0 32 1,-0.3 -1,-0.1 2,-0.0 0, 0.0 -0.348 126.0 -34.2 61.6-148.1 22.3 28.1 51.0 6 55 A L T 3 S+ 0 0 180 -4,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.354 106.7 130.5 -88.5 8.7 24.5 25.7 53.1 7 56 A G < - 0 0 27 -3,-2.1 3,-0.1 1,-0.1 28,-0.0 0.043 69.3 -69.1 -60.7 167.4 27.7 26.8 51.3 8 57 A P - 0 0 84 0, 0.0 -1,-0.1 0, 0.0 27,-0.1 -0.237 58.0 -98.3 -59.4 150.5 30.9 27.9 53.1 9 58 A L - 0 0 96 1,-0.1 2,-1.8 -3,-0.1 26,-0.2 -0.370 36.5-108.0 -66.8 148.9 30.9 31.2 55.1 10 59 A Q + 0 0 61 24,-0.1 57,-2.6 25,-0.1 58,-1.4 -0.591 66.4 148.9 -82.1 83.8 32.4 34.2 53.2 11 60 A I E -a 68 0A 53 -2,-1.8 23,-2.2 56,-0.2 24,-0.4 -0.980 28.2-163.4-124.2 131.1 35.5 34.3 55.3 12 61 A W E -aB 69 33A 5 56,-2.0 58,-3.4 -2,-0.4 2,-0.4 -0.759 11.3-152.9-111.9 158.1 39.0 35.4 54.2 13 62 A Q E -aB 70 32A 20 19,-1.9 19,-3.1 -2,-0.3 2,-0.4 -0.995 22.0-174.2-125.8 131.0 42.5 34.9 55.6 14 63 A T E + B 0 31A 1 56,-2.3 58,-0.4 -2,-0.4 2,-0.3 -0.965 11.1 155.4-131.1 145.6 44.9 37.7 54.7 15 64 A D E - B 0 30A 21 15,-3.0 15,-3.2 -2,-0.4 2,-0.4 -0.948 34.6-121.4-156.1 172.5 48.6 38.1 55.3 16 65 A F E - B 0 29A 16 -2,-0.3 2,-0.4 13,-0.2 13,-0.2 -0.965 25.6-174.6-117.1 144.4 51.7 39.8 54.0 17 66 A T E - B 0 28A 18 11,-2.6 11,-2.4 -2,-0.4 2,-0.5 -0.993 24.8-121.3-139.5 138.3 54.8 37.8 52.8 18 67 A L E + B 0 27A 80 -2,-0.4 9,-0.2 9,-0.2 8,-0.1 -0.692 28.9 177.8 -88.5 126.3 58.2 39.2 51.7 19 68 A E > - 0 0 9 7,-3.5 3,-2.6 -2,-0.5 4,-0.2 -0.796 14.0-171.5-127.6 92.2 59.3 38.4 48.2 20 69 A P G > S+ 0 0 83 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.705 82.8 73.7 -59.8 -20.2 62.6 39.9 47.0 21 70 A R G 3 S+ 0 0 62 1,-0.3 110,-2.4 109,-0.2 108,-0.1 0.747 100.8 48.2 -61.9 -19.6 62.1 38.7 43.5 22 71 A X G X S+ 0 0 0 -3,-2.6 3,-0.9 108,-0.1 -1,-0.3 0.323 96.2 170.4-100.7 10.2 59.5 41.4 43.4 23 72 A A T < + 0 0 23 -3,-1.6 22,-0.1 1,-0.3 108,-0.1 -0.268 56.7 36.5 -65.1 151.7 61.6 44.3 44.8 24 73 A P T 3 S+ 0 0 86 0, 0.0 2,-1.5 0, 0.0 -1,-0.3 -0.965 135.6 32.9 -72.0 -18.1 61.3 47.2 45.1 25 74 A R S < S+ 0 0 126 -3,-0.9 19,-0.2 1,-0.2 20,-0.2 -0.480 79.4 144.7 -95.7 71.3 57.6 46.3 45.8 26 75 A S + 0 0 21 -2,-1.5 -7,-3.5 19,-0.2 2,-0.8 0.498 33.5 99.1 -87.7 -6.6 58.5 43.1 47.4 27 76 A W E -BC 18 44A 67 17,-2.0 17,-1.9 -9,-0.2 2,-0.6 -0.728 59.4-162.1 -85.1 110.4 55.8 43.1 50.1 28 77 A L E -BC 17 43A 0 -11,-2.4 -11,-2.6 -2,-0.8 2,-0.6 -0.871 5.9-155.1-100.5 126.6 53.0 40.8 48.8 29 78 A A E -BC 16 42A 0 13,-2.6 13,-1.9 -2,-0.6 2,-0.4 -0.853 19.7-170.1 -99.8 127.1 49.7 41.1 50.4 30 79 A V E -BC 15 41A 0 -15,-3.2 -15,-3.0 -2,-0.6 2,-0.4 -0.955 14.7-173.4-128.5 135.1 47.8 37.9 50.0 31 80 A T E -BC 14 40A 0 9,-2.7 9,-2.5 -2,-0.4 2,-0.5 -0.982 5.9-163.3-124.4 137.3 44.2 37.0 50.6 32 81 A V E -BC 13 39A 4 -19,-3.1 -19,-1.9 -2,-0.4 2,-0.8 -0.926 19.4-136.1-118.1 128.6 42.8 33.5 50.4 33 82 A D E > -B 12 0A 20 5,-3.5 4,-2.4 -2,-0.5 5,-0.2 -0.776 16.7-150.6 -80.8 112.7 39.0 33.1 50.2 34 83 A T T 4 S+ 0 0 37 -23,-2.2 -1,-0.2 -2,-0.8 -22,-0.1 0.793 88.3 52.8 -63.0 -23.6 38.4 30.2 52.7 35 84 A A T 4 S+ 0 0 39 -24,-0.4 -1,-0.2 -26,-0.2 -25,-0.1 0.929 126.2 18.0 -83.1 -38.2 35.3 28.9 50.9 36 85 A S T 4 S- 0 0 72 2,-0.1 -2,-0.2 -28,-0.0 -1,-0.1 0.509 93.6-124.3-106.3 -3.1 36.7 28.5 47.4 37 86 A S < + 0 0 68 -4,-2.4 -3,-0.1 1,-0.2 -2,-0.0 0.497 57.2 154.3 70.4 7.3 40.5 28.6 48.0 38 87 A A - 0 0 22 -5,-0.2 -5,-3.5 -6,-0.1 2,-0.4 -0.300 29.9-149.2 -66.6 148.7 40.7 31.5 45.5 39 88 A I E -C 32 0A 9 -7,-0.2 2,-0.4 105,-0.2 -7,-0.2 -0.944 15.5-168.8-125.8 140.9 43.7 33.8 46.0 40 89 A V E +C 31 0A 1 -9,-2.5 -9,-2.7 -2,-0.4 2,-0.4 -0.998 13.3 179.7-123.4 131.3 44.2 37.5 45.5 41 90 A V E +C 30 0A 9 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.2 -0.992 4.3 175.8-136.9 141.1 47.8 38.9 45.7 42 91 A T E -C 29 0A 22 -13,-1.9 -13,-2.6 -2,-0.4 2,-0.3 -0.926 26.1-120.0-135.8 157.5 49.0 42.6 45.2 43 92 A Q E -C 28 0A 16 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.806 25.8-175.8-110.5 149.3 52.4 44.1 45.5 44 93 A H E -C 27 0A 21 -17,-1.9 -17,-2.0 -2,-0.3 3,-0.1 -0.999 31.0-142.3-141.0 139.8 53.5 46.9 47.9 45 94 A G S S+ 0 0 36 -2,-0.3 2,-0.3 -20,-0.2 -19,-0.2 0.795 91.7 25.0 -74.2 -25.2 56.7 48.8 48.5 46 95 A R S S- 0 0 189 -19,-0.1 2,-0.9 -21,-0.1 -1,-0.1 -0.987 75.3-120.9-141.6 152.8 56.0 48.8 52.3 47 96 A V + 0 0 63 -2,-0.3 2,-0.3 4,-0.1 3,-0.1 -0.771 59.9 135.6 -88.4 103.2 54.1 46.8 54.9 48 97 A T > - 0 0 61 -2,-0.9 4,-1.9 1,-0.1 5,-0.2 -0.953 69.7-102.5-144.4 169.2 51.7 49.3 56.4 49 98 A S H > S+ 0 0 22 -2,-0.3 4,-1.6 1,-0.2 5,-0.2 0.945 121.7 52.0 -60.6 -45.7 48.0 49.6 57.4 50 99 A V H > S+ 0 0 68 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.865 104.9 54.4 -62.7 -37.2 47.3 51.5 54.2 51 100 A A H > S+ 0 0 6 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.904 106.9 52.1 -64.0 -36.7 48.9 48.9 52.0 52 101 A A H X S+ 0 0 1 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.862 110.0 48.3 -64.7 -36.9 46.6 46.3 53.6 53 102 A Q H X S+ 0 0 17 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.894 110.1 51.1 -71.4 -39.1 43.5 48.5 52.9 54 103 A H H X S+ 0 0 112 -4,-2.7 4,-1.6 2,-0.2 -2,-0.2 0.923 112.0 49.0 -62.2 -38.8 44.6 49.0 49.2 55 104 A H H X S+ 0 0 1 -4,-2.0 4,-2.6 -5,-0.2 -2,-0.2 0.937 110.9 48.5 -64.2 -46.9 45.0 45.2 49.0 56 105 A W H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.3 0.929 106.7 57.7 -64.7 -35.8 41.5 44.6 50.5 57 106 A A H X S+ 0 0 45 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.924 111.2 42.1 -56.8 -46.0 40.0 47.1 48.1 58 107 A T H X S+ 0 0 61 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.916 113.8 50.8 -64.8 -50.6 41.3 45.1 45.2 59 108 A A H X S+ 0 0 0 -4,-2.6 4,-3.4 1,-0.2 5,-0.4 0.864 109.4 53.1 -56.8 -35.9 40.3 41.7 46.8 60 109 A I H X S+ 0 0 16 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.921 107.8 50.2 -67.5 -40.0 36.8 43.2 47.3 61 110 A A H < S+ 0 0 89 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.882 118.6 39.5 -65.9 -33.7 36.7 44.1 43.6 62 111 A V H < S+ 0 0 79 -4,-2.0 -2,-0.2 2,-0.1 -1,-0.2 0.923 132.1 17.9 -81.1 -46.6 37.7 40.6 42.6 63 112 A L H < S- 0 0 59 -4,-3.4 -3,-0.2 1,-0.3 -2,-0.2 0.546 103.5-110.4-107.0 -8.8 35.8 38.4 45.1 64 113 A G < - 0 0 34 -4,-2.2 -1,-0.3 -5,-0.4 -2,-0.1 -0.343 54.4 -47.8 102.0 172.2 33.0 40.5 46.6 65 114 A R - 0 0 149 -2,-0.1 2,-0.1 -4,-0.1 -55,-0.1 -0.686 61.2-142.9 -82.0 128.9 32.7 41.9 50.1 66 115 A P - 0 0 3 0, 0.0 -55,-0.2 0, 0.0 3,-0.1 -0.410 12.7-130.9 -83.9 169.2 33.4 39.1 52.7 67 116 A K S S+ 0 0 91 -57,-2.6 25,-2.6 1,-0.3 2,-0.3 0.809 88.2 4.7 -87.4 -27.6 31.6 38.8 56.0 68 117 A A E -ad 11 92A 20 -58,-1.4 -56,-2.0 23,-0.2 2,-0.4 -0.989 59.9-150.6-152.1 154.9 34.8 38.5 58.0 69 118 A I E -ad 12 93A 0 23,-2.1 25,-2.1 -2,-0.3 2,-0.5 -0.985 11.4-151.7-131.7 133.2 38.6 38.6 57.5 70 119 A K E +ad 13 94A 22 -58,-3.4 -56,-2.3 -2,-0.4 2,-0.3 -0.927 26.7 154.1-102.4 129.9 41.1 36.7 59.6 71 120 A T - 0 0 0 23,-2.4 -56,-0.1 -2,-0.5 2,-0.1 -0.859 40.9 -99.8-139.1-176.2 44.6 38.1 60.1 72 121 A D - 0 0 62 -58,-0.4 24,-0.1 -2,-0.3 -1,-0.1 -0.244 50.2 -89.6 -89.3-166.3 47.5 37.9 62.5 73 122 A N S S+ 0 0 108 22,-0.1 5,-0.1 4,-0.1 -1,-0.1 0.132 70.5 147.5 -91.9 22.8 48.2 40.6 65.1 74 123 A G >> - 0 0 26 1,-0.1 3,-2.1 3,-0.1 4,-1.9 -0.089 59.0-120.1 -56.8 149.0 50.5 42.7 62.9 75 124 A S H 3> S+ 0 0 101 1,-0.3 4,-0.9 2,-0.2 -1,-0.1 0.816 114.2 63.0 -66.6 -29.9 50.3 46.4 63.5 76 125 A C H 34 S+ 0 0 11 1,-0.2 -1,-0.3 2,-0.2 -24,-0.1 0.601 111.4 38.6 -71.3 -8.7 49.2 46.9 60.0 77 126 A F H <4 S+ 0 0 2 -3,-2.1 -2,-0.2 5,-0.1 -1,-0.2 0.639 119.5 42.0-111.5 -23.0 46.1 44.9 60.9 78 127 A T H < S+ 0 0 40 -4,-1.9 -2,-0.2 -5,-0.1 -3,-0.2 0.347 83.8 121.0-104.3 7.9 45.3 46.1 64.4 79 128 A S S X S- 0 0 28 -4,-0.9 4,-2.4 -5,-0.2 5,-0.3 -0.266 75.7-115.6 -66.8 159.3 45.9 49.8 63.9 80 129 A K H > S+ 0 0 180 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.940 116.9 56.4 -59.6 -37.4 43.1 52.2 64.5 81 130 A S H > S+ 0 0 57 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.953 108.3 44.2 -58.0 -51.3 43.2 53.0 60.8 82 131 A T H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.914 112.3 52.2 -66.2 -42.7 42.7 49.4 59.6 83 132 A R H X S+ 0 0 132 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.901 111.5 48.2 -59.6 -40.6 39.9 48.7 62.1 84 133 A E H X S+ 0 0 112 -4,-2.3 4,-2.5 -5,-0.3 -1,-0.2 0.863 108.7 52.1 -68.8 -39.4 38.1 51.8 61.0 85 134 A W H X S+ 0 0 16 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.873 112.9 45.1 -64.7 -35.1 38.5 50.9 57.3 86 135 A L H X>S+ 0 0 2 -4,-2.2 5,-2.7 2,-0.2 4,-0.7 0.908 111.8 52.5 -75.4 -33.9 37.0 47.4 58.0 87 136 A A H ><5S+ 0 0 66 -4,-2.6 3,-1.0 -5,-0.2 -2,-0.2 0.906 106.0 54.7 -66.9 -39.1 34.2 49.0 60.1 88 137 A R H 3<5S+ 0 0 163 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.871 111.7 45.7 -58.1 -36.2 33.5 51.4 57.1 89 138 A W H 3<5S- 0 0 92 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.647 110.9-119.6 -86.9 -6.2 33.0 48.3 54.9 90 139 A G T <<5 + 0 0 59 -3,-1.0 2,-0.5 -4,-0.7 -3,-0.2 0.852 64.4 144.2 74.2 28.1 30.9 46.3 57.4 91 140 A I < - 0 0 8 -5,-2.7 -1,-0.2 -6,-0.1 -23,-0.2 -0.898 46.2-134.4-108.5 126.8 33.5 43.5 57.5 92 141 A A E -d 68 0A 61 -25,-2.6 -23,-2.1 -2,-0.5 2,-0.4 -0.391 23.0-153.4 -73.8 151.7 34.0 41.7 60.8 93 142 A H E +d 69 0A 50 -25,-0.2 2,-0.4 -2,-0.1 -23,-0.2 -0.983 15.9 178.2-132.2 136.5 37.6 41.2 61.8 94 143 A T E -d 70 0A 68 -25,-2.1 -23,-2.4 -2,-0.4 3,-0.1 -0.966 25.1-170.0-135.0 143.6 39.4 38.6 63.9 95 144 A T - 0 0 42 -2,-0.4 2,-0.3 1,-0.3 8,-0.2 0.437 53.6-134.4-102.2 -4.2 43.0 38.0 64.9 96 145 A G - 0 0 28 -24,-0.1 -1,-0.3 2,-0.1 4,-0.0 -0.690 50.6 -8.0 92.5-142.4 41.8 34.6 66.3 97 146 A I S S- 0 0 109 -2,-0.3 2,-0.8 -3,-0.1 4,-0.2 -0.859 72.5-112.9 -97.8 128.0 42.7 33.0 69.7 98 147 A P S S+ 0 0 125 0, 0.0 -2,-0.1 0, 0.0 -1,-0.0 -0.463 118.6 18.6 -62.4 102.3 45.4 34.7 71.7 99 148 A G S S+ 0 0 71 -2,-0.8 3,-0.1 2,-0.0 -3,-0.0 0.789 85.2 169.5 87.1 77.1 47.9 31.9 71.4 100 149 A N - 0 0 46 -5,-0.1 2,-0.8 1,-0.1 -4,-0.0 0.571 44.3-129.6 -95.7 -11.3 45.9 30.6 68.4 101 150 A S S S- 0 0 121 -4,-0.2 2,-0.2 2,-0.0 -1,-0.1 -0.504 72.7 -53.3 98.3 -54.3 48.8 28.2 67.7 102 151 A Q - 0 0 80 -2,-0.8 3,-0.1 -3,-0.1 -6,-0.1 -0.366 65.1-176.1 152.9 123.3 48.4 29.7 64.3 103 152 A G + 0 0 38 -2,-0.2 2,-1.5 -8,-0.2 3,-0.4 0.715 67.6 78.2-108.2 -29.0 44.9 29.4 62.8 104 153 A Q > + 0 0 2 1,-0.2 4,-2.0 2,-0.1 3,-0.3 -0.254 46.8 139.7 -80.1 50.4 45.6 30.9 59.3 105 154 A A H > + 0 0 61 -2,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.813 66.7 61.1 -63.9 -29.5 47.1 27.8 57.8 106 155 A X H > S+ 0 0 65 -3,-0.4 4,-1.7 2,-0.2 -1,-0.2 0.899 105.8 44.6 -71.5 -34.7 45.3 28.4 54.5 107 156 A V H > S+ 0 0 0 -3,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.913 111.6 55.1 -74.3 -36.2 46.9 31.8 53.9 108 157 A E H X S+ 0 0 58 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.925 108.6 46.5 -59.4 -44.1 50.3 30.3 54.9 109 158 A R H X S+ 0 0 138 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.920 111.1 53.0 -62.9 -39.2 49.9 27.6 52.3 110 159 A A H X S+ 0 0 2 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.895 105.3 55.3 -60.6 -42.9 48.8 30.3 49.7 111 160 A N H X S+ 0 0 12 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.957 111.0 44.9 -56.9 -48.0 52.0 32.2 50.6 112 161 A R H X S+ 0 0 146 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.920 111.8 49.1 -67.7 -39.9 54.1 29.1 49.8 113 162 A L H X S+ 0 0 53 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.913 113.0 50.5 -67.9 -37.8 52.4 28.2 46.5 114 163 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.2 5,-0.2 0.945 109.6 46.9 -66.4 -49.4 52.7 31.7 45.3 115 164 A K H X S+ 0 0 61 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.905 115.0 48.8 -64.1 -34.1 56.4 32.1 46.0 116 165 A D H X S+ 0 0 91 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.915 112.2 45.7 -67.8 -44.8 57.1 28.9 44.4 117 166 A K H X S+ 0 0 70 -4,-2.5 4,-2.9 -5,-0.2 5,-0.2 0.880 112.1 53.0 -65.1 -36.3 55.0 29.6 41.3 118 167 A I H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.942 111.3 46.7 -63.2 -44.5 56.6 33.1 41.0 119 168 A R H X S+ 0 0 88 -4,-2.2 4,-3.0 -5,-0.2 5,-0.2 0.929 114.0 47.5 -62.8 -43.5 60.1 31.5 41.2 120 169 A V H X S+ 0 0 66 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.959 115.1 44.2 -65.8 -44.0 59.1 28.9 38.5 121 170 A L H X S+ 0 0 32 -4,-2.9 4,-1.1 2,-0.2 -2,-0.2 0.898 115.3 49.1 -70.3 -40.7 57.6 31.4 36.1 122 171 A A H ><>S+ 0 0 0 -4,-2.9 5,-2.5 -5,-0.2 3,-0.9 0.931 111.9 46.7 -62.1 -47.6 60.5 33.8 36.6 123 172 A E H ><5S+ 0 0 65 -4,-3.0 3,-2.1 1,-0.3 -2,-0.2 0.893 106.7 60.8 -63.2 -35.6 63.2 31.1 36.0 124 173 A G H 3<5S+ 0 0 64 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.778 106.5 45.7 -56.8 -33.0 61.1 30.1 33.0 125 174 A D T <<5S- 0 0 86 -4,-1.1 -1,-0.3 -3,-0.9 -2,-0.2 0.304 126.7 -99.4 -93.2 7.7 61.7 33.6 31.5 126 175 A G T < 5S+ 0 0 54 -3,-2.1 2,-1.1 1,-0.2 -3,-0.2 0.500 82.7 130.5 92.9 5.6 65.4 33.6 32.4 127 176 A F < + 0 0 47 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.1 -0.735 22.4 167.8-101.6 102.5 65.2 35.7 35.5 128 177 A X S S+ 0 0 86 -2,-1.1 -1,-0.2 2,-0.1 -5,-0.1 0.603 70.6 15.2 -89.9 -8.9 67.1 33.7 38.1 129 178 A K S S+ 0 0 165 1,-0.4 2,-0.2 -7,-0.1 -2,-0.1 -0.021 123.3 2.4-134.5-118.8 67.2 36.5 40.7 130 179 A R S S- 0 0 119 -2,-0.1 -1,-0.4 1,-0.1 -109,-0.2 -0.458 75.0-121.8 -75.2 137.4 65.1 39.8 41.0 131 180 A I - 0 0 0 -110,-2.4 5,-0.1 -2,-0.2 -1,-0.1 -0.656 36.4-100.3 -74.3 131.9 62.5 40.1 38.2 132 181 A P >> - 0 0 46 0, 0.0 3,-2.0 0, 0.0 4,-0.7 -0.232 35.1-118.3 -51.4 137.1 63.1 43.3 36.1 133 182 A T H >> S+ 0 0 80 1,-0.3 3,-1.1 2,-0.2 4,-0.5 0.838 110.5 56.7 -48.4 -46.3 60.6 45.9 37.4 134 183 A S H 34 S+ 0 0 105 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.553 108.7 48.0 -66.0 -11.6 58.8 46.3 34.1 135 184 A K H <> S+ 0 0 106 -3,-2.0 4,-1.6 2,-0.1 -1,-0.2 0.491 90.1 85.4-105.3 -6.2 58.0 42.5 33.9 136 185 A Q H S+ 0 0 171 -4,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.868 115.2 51.7 -74.4 -31.0 52.3 40.5 34.4 139 188 A L H X S+ 0 0 5 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.938 111.8 46.0 -68.1 -44.7 54.4 37.8 36.1 140 189 A L H X S+ 0 0 11 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.933 114.5 47.9 -61.7 -43.2 52.5 38.3 39.5 141 190 A A H X S+ 0 0 57 -4,-2.0 4,-2.7 -5,-0.3 -1,-0.2 0.906 110.6 54.5 -65.0 -34.3 49.1 38.3 37.6 142 191 A K H X S+ 0 0 90 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.927 108.1 46.7 -66.2 -38.8 50.4 35.2 35.8 143 192 A A H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.904 111.7 52.0 -69.9 -37.8 51.1 33.4 39.1 144 193 A X H X S+ 0 0 38 -4,-2.6 4,-1.4 1,-0.2 3,-0.2 0.952 111.6 46.6 -64.4 -46.5 47.7 34.5 40.5 145 194 A Y H X S+ 0 0 112 -4,-2.7 4,-2.7 1,-0.2 3,-0.4 0.911 108.8 56.5 -56.3 -47.1 46.0 33.0 37.4 146 195 A A H < S+ 0 0 25 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.843 113.3 38.9 -57.1 -38.3 48.0 29.8 37.6 147 196 A L H < S+ 0 0 26 -4,-1.8 -1,-0.3 -3,-0.2 -2,-0.2 0.646 122.0 42.9 -88.2 -13.9 46.9 29.1 41.2 148 197 A N H < S+ 0 0 35 -4,-1.4 2,-0.6 -3,-0.4 -2,-0.2 0.853 105.4 53.6 -97.1 -38.5 43.3 30.2 40.6 149 198 A H < + 0 0 115 -4,-2.7 2,-0.6 -5,-0.2 -1,-0.2 -0.906 50.7 179.4-113.3 120.2 42.0 28.9 37.3 150 199 A F - 0 0 139 -2,-0.6 2,-4.6 -3,-0.1 -4,-0.0 -0.949 31.9-134.9-116.1 117.5 42.2 25.3 36.2 151 200 A E 0 0 152 -2,-0.6 -2,-0.0 1,-0.1 -1,-0.0 -0.263 360.0 360.0 -65.9 60.3 40.7 24.7 32.8 152 201 A R 0 0 272 -2,-4.6 -1,-0.1 0, 0.0 -3,-0.0 -0.009 360.0 360.0-156.0 360.0 39.0 21.7 34.4